3-(7-methyl-4-oxoquinazolin-3-yl)propanoic acid

C12H12N2O3 — CID 117264503

IUPAC3-(7-methyl-4-oxoquinazolin-3-yl)propanoic acid
SMILESCc1ccc2c(=O)n(CCC(=O)O)cnc2c1
InChIInChI=1S/C12H12N2O3/c1-8-2-3-9-10(6-8)13-7-14(12(9)17)5-4-11(15)16/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKeyNAEODJMXCRXORG-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.18
Rot. Bonds3

About 3-(7-methyl-4-oxoquinazolin-3-yl)propanoic acid

3-(7-methyl-4-oxoquinazolin-3-yl)propanoic acid (PubChem CID 117264503) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-(7-methyl-4-oxoquinazolin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(7-methyl-4-oxoquinazolin-3-yl)propanoic acid
PubChem CID117264503
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-(7-methyl-4-oxoquinazolin-3-yl)propanoic acid
SMILESCc1ccc2c(=O)n(CCC(=O)O)cnc2c1
InChIInChI=1S/C12H12N2O3/c1-8-2-3-9-10(6-8)13-7-14(12(9)17)5-4-11(15)16/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKeyNAEODJMXCRXORG-UHFFFAOYSA-N
XLogP1.18
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(7-hydroxy-4-oxoquinazolin-3-yl)propanoic acid
CID 117264509
3-(2-aminoethyl)-7-methylquinazolin-4-one
CID 117264406
3-(2-hydroxyethyl)-7-methylquinazolin-4-one
CID 117264165
3-(7-fluoro-4-oxoquinazolin-3-yl)propanoic acid
CID 112707958
3-(2-hydroxypropyl)-7-methylquinazolin-4-one
CID 117264166
3-(6-methoxy-4-oxoquinazolin-3-yl)propanoic acid
CID 117264158
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one
CID 40743761
3-(5,6-dimethylbenzimidazol-1-yl)propanoic acid;hydrochloride
CID 16615175
3-(2-chloroethyl)-8-methylpyrimido[5,4-c]quinolin-4-one
CID 53376674
4-[methyl-[3-(4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid
CID 119137206
3-(8-hydroxy-4-oxoquinazolin-3-yl)propanoic acid
CID 117264860
N-(2-acetamido-5-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 131906477

Frequently Asked Questions

What is the IUPAC name of 3-(7-methyl-4-oxoquinazolin-3-yl)propanoic acid?
The IUPAC name of 3-(7-methyl-4-oxoquinazolin-3-yl)propanoic acid (CID 117264503) is 3-(7-methyl-4-oxoquinazolin-3-yl)propanoic acid.
What is the SMILES notation for 3-(7-methyl-4-oxoquinazolin-3-yl)propanoic acid?
The canonical SMILES for 3-(7-methyl-4-oxoquinazolin-3-yl)propanoic acid is Cc1ccc2c(=O)n(CCC(=O)O)cnc2c1.
What is the InChIKey of 3-(7-methyl-4-oxoquinazolin-3-yl)propanoic acid?
The InChIKey is NAEODJMXCRXORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8-2-3-9-10(6-8)13-7-14(12(9)17)5-4-11(15)16/h2-3,6-7H,4-5H2,1H3,(H,15,16).
What are the key properties of 3-(7-methyl-4-oxoquinazolin-3-yl)propanoic acid?
3-(7-methyl-4-oxoquinazolin-3-yl)propanoic acid has a molecular weight of 232.24 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyl-4-oxoquinazolin-3-yl)propanoic acid is sourced from PubChem (CID 117264503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).